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racemic 1-[2-(4-chloro-phenyl)-2-(4-ffuoro-phenyl)- benzo[1,3]dioxole-5 sulfonyl]-piperidine
SpectraBase Compound ID KRPeK2K88oy
InChI InChI=1S/C24H21ClFNO4S/c25-19-8-4-17(5-9-19)24(18-6-10-20(26)11-7-18)30-22-13-12-21(16-23(22)31-24)32(28,29)27-14-2-1-3-15-27/h4-13,16H,1-3,14-15H2
InChIKey YAGVPCYHXFPPEZ-UHFFFAOYSA-N
Mol Weight 473.95 g/mol
Molecular Formula C24H21ClFNO4S
Exact Mass 473.086385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8D5WUWMLZpS
Name racemic 1-[2-(4-chloro-phenyl)-2-(4-ffuoro-phenyl)- benzo[1,3]dioxole-5 sulfonyl]-piperidine
Appearance Colorless foam
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Formula C24H21ClFNO4S
InChI InChI=1S/C24H21ClFNO4S/c25-19-8-4-17(5-9-19)24(18-6-10-20(26)11-7-18)30-22-13-12-21(16-23(22)31-24)32(28,29)27-14-2-1-3-15-27/h4-13,16H,1-3,14-15H2
InChIKey YAGVPCYHXFPPEZ-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 473.946 g/mol
SMILES c1cc(C2(c3ccc(Cl)cc3)Oc3ccc(cc3O2)S(N2CCCCC2)(=O)=O)ccc1F
SPLASH splash10-001i-9030200000-386753aba8f76bc2b0de
Source of Spectrum CA2493313C
Wiley ID 1841368